methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate

C17H15N3O5S2 — CID 90608202

IUPACmethyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H15N3O5S2/c1-24-17(21)11-4-6-12(7-5-11)27(22,23)20-13-8-9-26-14(13)16-18-15(19-25-16)10-2-3-10/h4-10,20H,2-3H2,1H3
InChIKeyYPBUPFSOGTZBLQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.26
Rot. Bonds6

About methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate

methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate (PubChem CID 90608202) has the molecular formula C17H15N3O5S2 and a molecular weight of 405.46 g/mol. Its IUPAC name is methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate
PubChem CID90608202
Molecular FormulaC17H15N3O5S2
Molecular Weight405.46 g/mol
Exact Mass405.05
IUPAC Namemethyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H15N3O5S2/c1-24-17(21)11-4-6-12(7-5-11)27(22,23)20-13-8-9-26-14(13)16-18-15(19-25-16)10-2-3-10/h4-10,20H,2-3H2,1H3
InChIKeyYPBUPFSOGTZBLQ-UHFFFAOYSA-N
XLogP3.26
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate with MolForge

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Related Compounds

4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608180
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608190
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607888
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607965
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
CID 90607912
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide
CID 90607895
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate (CID 90608202) is methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1.
What is the InChIKey of methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate?
The InChIKey is YPBUPFSOGTZBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S2/c1-24-17(21)11-4-6-12(7-5-11)27(22,23)20-13-8-9-26-14(13)16-18-15(19-25-16)10-2-3-10/h4-10,20H,2-3H2,1H3.
What are the key properties of methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate?
methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate has a molecular weight of 405.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate is sourced from PubChem (CID 90608202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).